(E,2Z)-N-acetyl-2-ethylidenehex-3-enamide

C10H15NO2 — CID 163760417

IUPAC(E,2Z)-N-acetyl-2-ethylidenehex-3-enamide
SMILESC/C=C(/C=C/CC)C(=O)NC(C)=O
InChIInChI=1S/C10H15NO2/c1-4-6-7-9(5-2)10(13)11-8(3)12/h5-7H,4H2,1-3H3,(H,11,12,13)/b7-6+,9-5-
InChIKeyLXSHRKZPEXRDNV-MTNQHGNXSA-N
MW181.23 g/mol
LogP1.56
Rot. Bonds3

About (E,2Z)-N-acetyl-2-ethylidenehex-3-enamide

(E,2Z)-N-acetyl-2-ethylidenehex-3-enamide (PubChem CID 163760417) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (E,2Z)-N-acetyl-2-ethylidenehex-3-enamide.

Molecular Properties

Compound Name(E,2Z)-N-acetyl-2-ethylidenehex-3-enamide
PubChem CID163760417
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(E,2Z)-N-acetyl-2-ethylidenehex-3-enamide
SMILESC/C=C(/C=C/CC)C(=O)NC(C)=O
InChIInChI=1S/C10H15NO2/c1-4-6-7-9(5-2)10(13)11-8(3)12/h5-7H,4H2,1-3H3,(H,11,12,13)/b7-6+,9-5-
InChIKeyLXSHRKZPEXRDNV-MTNQHGNXSA-N
XLogP1.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,2Z)-N-acetyl-2-ethylidenehex-3-enamide?
The IUPAC name of (E,2Z)-N-acetyl-2-ethylidenehex-3-enamide (CID 163760417) is (E,2Z)-N-acetyl-2-ethylidenehex-3-enamide.
What is the SMILES notation for (E,2Z)-N-acetyl-2-ethylidenehex-3-enamide?
The canonical SMILES for (E,2Z)-N-acetyl-2-ethylidenehex-3-enamide is C/C=C(/C=C/CC)C(=O)NC(C)=O.
What is the InChIKey of (E,2Z)-N-acetyl-2-ethylidenehex-3-enamide?
The InChIKey is LXSHRKZPEXRDNV-MTNQHGNXSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-6-7-9(5-2)10(13)11-8(3)12/h5-7H,4H2,1-3H3,(H,11,12,13)/b7-6+,9-5-.
What are the key properties of (E,2Z)-N-acetyl-2-ethylidenehex-3-enamide?
(E,2Z)-N-acetyl-2-ethylidenehex-3-enamide has a molecular weight of 181.23 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2Z)-N-acetyl-2-ethylidenehex-3-enamide is sourced from PubChem (CID 163760417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).